74039-66-0

74039-66-0 structure
74039-66-0 structure
  • Name: 8-N-Butylthiotheophylline
  • Chemical Name: Theophylline, 8-butylthio
  • CAS Number: 74039-66-0
  • Molecular Formula: C11H16N4O2S
  • Molecular Weight: 268.33500
  • Create Date: 2017-02-24 06:59:13
  • Modify Date: 2024-09-29 05:27:49

Name Theophylline, 8-butylthio
Density 1.37g/cm3
Boiling Point 477.7ºC at 760 mmHg
Molecular Formula C11H16N4O2S
Molecular Weight 268.33500
Flash Point 242.7ºC
Exact Mass 268.09900
PSA 97.98000
LogP 0.85250
Index of Refraction 1.629

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5055000
CHEMICAL NAME :
Theophylline, 8-butylthio-
CAS REGISTRY NUMBER :
74039-66-0
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H16-N4-O2-S
MOLECULAR WEIGHT :
268.37
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CS4 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04405